1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone

C15H13N3O2 — CID 3279303

IUPAC1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-11(19)12-6-2-5-9-15(12)20-10-18-14-8-4-3-7-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyQRIUZMPHZBAUMF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone

1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone (PubChem CID 3279303) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone
PubChem CID3279303
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-11(19)12-6-2-5-9-15(12)20-10-18-14-8-4-3-7-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyQRIUZMPHZBAUMF-UHFFFAOYSA-N
XLogP2.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
1-Propanone, 1-[4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]-
CID 5295166
4-(4-Acetylphenoxy)-1-(benzotriazol-1-yl)butan-1-one
CID 2087132
1-[4-[3-(Benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 2917526
3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-(4-methoxy-phenyl)-propenone
CID 5766646
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-Benzotriazolyl-1-(4-methoxyphenyl)ethan-1-one
CID 3812150
(2-Ethoxy-phenyl)-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 648039
(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 6184004
(1R,3R)-3-(benzotriazol-1-ylmethyl)-9-methoxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
CID 76317355
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone (CID 3279303) is 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone is CC(=O)c1ccccc1OCn1nnc2ccccc21.
What is the InChIKey of 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone?
The InChIKey is QRIUZMPHZBAUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11(19)12-6-2-5-9-15(12)20-10-18-14-8-4-3-7-13(14)16-17-18/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone?
1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 3279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).